methyl (E,9S,12S,13S)-9,12,13-tris(oxidanyl)octadec-10-enoate

Systemtic Name: methyl (E,9S,12S,13S)-9,12,13-tris(oxidanyl)octadec-10-enoate Openeye Name: methyl (E,9S,12S,13S)-9,12,13-trihydroxyoctadec-10-enoate CAS Name: (E,9S,12S,13S)-9,12,13-trihydroxy-10-octadecenoic acid methyl ester IUPAC Name: methyl (E,9S,12S,13S)-9,12,13-trihydroxyoctadec-10-enoate Traditional Name: (E,9S,12S,13S)-9,12,13-trihydroxyoctadec-10-enoic acid methyl ester Formula: C19H36O5 MolecularWeight: 344.48614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C=CC(CCCCCCCC(=O)OC)O)O)O

Isomeric SMILES

CCCCC[C@@H]([C@H](/C=C/[C@H](CCCCCCCC(=O)OC)O)O)O

InChI

InChI=1S/C19H36O5/c1-3-4-8-12-17(21)18(22)15-14-16(20)11-9-6-5-7-10-13-19(23)24-2/h14-18,20-22H,3-13H2,1-2H3/b15-14+/t16-,17-,18-/m0/s1